4-[[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethyl-isoxazole Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H22N4O3S2/c1-13-18(14(2)25-20-13)27(23,24)22-9-5-8-21(10-11-22)12-17-19-15-6-3-4-7-16(15)26-17/h3-4,6-7H,5,8-12H2,1-2H3